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IV.C.1. (XIII.D.1.)

Compare vibrational frequencies in CCCBDB for CH2CF2 (Ethene, 1,1-difluoro-)

PBEPBE/STO-3G

Frequency in cm-1
  Calculated   Experimental
Mode Number Symmetry Frequency diff Symmetry Frequency Comment
1 A1 3070 -0 A1 3070  
2 A1 1619 -109 A1 1728  
3 A1 1365 5 A1 1360  
4 A1 862 -64 A1 926  
5 A1 443 -107 A1 550  
6 A2 622 -92 A2 714  
7 B1 675 -128 B1 803 B1 & B2 switched in 1974sve/kov
8 B1 522 -89 B1 611  
9 B2 3217 63 B2 3154  
10 B2 1305 3 B2 1302  
11 B2 901 -54 B2 955  
12 B2 373 -65 B2 438  
The calculated vibrational frequencies were scaled by 0.9136

See section XIII.C.3 List or set vibrational scaling factors to change the scale factors used here.
See section III.B.3.c Calculate a vibrational scaling factor for a set of molecules to determine the least squares best scaling factor.
See section III.B.3.b List of vibrational scaling factors and their uncertainties for information on where the above scaling factor is from.